SCHEMBL30105015

SCHEMBL30105015

O=C(Nc1ccnc(Cl)c1)Nc1cc(Br)cc(Br)c1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.54
▸ SMARCA4 P51532 8/20 0.54
▸ KMT2A Q03164 4/20 0.43
▸ MALT1 Q9UDY8 1/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23831929 1.00 SMARCA2 (0.54) SMARCA2SMARCA4KMT2AMALT1MEN1
SCHEMBL30105294 0.88 AR (0.43) SMARCA2SMARCA4KMT2AMEN1KDM4E
SCHEMBL23832028 0.88 AR (0.43) SMARCA2SMARCA4KMT2AMEN1KDM4E
SCHEMBL30105307 0.86 KCNH2 (0.39) SMARCA2SMARCA4KMT2AMEN1HTT
SCHEMBL23831606 0.86 SMARCA2 (0.54) SMARCA2SMARCA4KMT2AMALT1MEN1
SCHEMBL23832005 0.86 KCNH2 (0.39) SMARCA2SMARCA4KMT2AMEN1HTT
SCHEMBL23831835 0.85 S1PR2 (0.55) KMT2AMEN1KDM4EMAPK1HTT
SCHEMBL30105096 0.83 CNR1 (0.43) KMT2AMALT1MEN1HTTNPC1
SCHEMBL23831972 0.83 CNR1 (0.43) KMT2AMALT1MEN1HTTNPC1
SCHEMBL30105089 0.82 SMARCA2 (0.56) SMARCA2SMARCA4KMT2AMALT1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 — — EP disclosed
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